UCSF

ZINC22041004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 10.04 -41.21 1 3 1 25 309.433 5
Hi High (pH 8-9.5) 3.45 7.67 -7.36 0 3 0 24 308.425 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )